3-(benzotriazol-1-ylmethylamino)benzoic acid

Systemtic Name: 3-(benzotriazol-1-ylmethylamino)benzoic acid Openeye Name: 3-(benzotriazol-1-ylmethylamino)benzoic acid CAS Name: 3-(1-benzotriazolylmethylamino)benzoic acid IUPAC Name: 3-(benzotriazol-1-ylmethylamino)benzoic acid Traditional Name: 3-(benzotriazol-1-ylmethylamino)benzoic acid Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C14H12N4O2/c19-14(20)10-4-3-5-11(8-10)15-9-18-13-7-2-1-6-12(13)16-17-18/h1-8,15H,9H2,(H,19,20)